7-[2-(3,4-dichlorophenyl)ethyl]-3-nitro-12H-benzo[i]phenoxazine-1-carboxylic acid

Systemtic Name: 7-[2-(3,4-dichlorophenyl)ethyl]-3-nitro-12H-benzo[i]phenoxazine-1-carboxylic acid Openeye Name: 7-[2-(3,4-dichlorophenyl)ethyl]-3-nitro-12H-benzo[i]phenoxazine-1-carboxylic acid CAS Name: 7-[2-(3,4-dichlorophenyl)ethyl]-3-nitro-12H-benzo[i]phenoxazine-1-carboxylic acid IUPAC Name: 7-[2-(3,4-dichlorophenyl)ethyl]-3-nitro-12H-benzo[i]phenoxazine-1-carboxylic acid Traditional Name: 7-[2-(3,4-dichlorophenyl)ethyl]-3-nitro-12H-benzo[i]phenoxazine-1-carboxylic acid Formula: C25H16Cl2N2O5 MolecularWeight: 495.31094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC3=C(C=C2C(=C1)CCC4=CC(=C(C=C4)Cl)Cl)OC5=C(N3)C(=CC(=C5)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC2=CC3=C(C=C2C(=C1)CCC4=CC(=C(C=C4)Cl)Cl)OC5=C(N3)C(=CC(=C5)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C25H16Cl2N2O5/c26-19-7-5-13(8-20(19)27)4-6-14-2-1-3-15-9-21-22(12-17(14)15)34-23-11-16(29(32)33)10-18(25(30)31)24(23)28-21/h1-3,5,7-12,28H,4,6H2,(H,30,31)